N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide

C12H19N3O2 — CID 94144978

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide
SMILESCc1cc(NC(=O)CC[C@H]2CCCO2)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-9-8-11(15(2)14-9)13-12(16)6-5-10-4-3-7-17-10/h8,10H,3-7H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyQHKGGYIGLSROKY-SNVBAGLBSA-N
MW237.30 g/mol
LogP1.63
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide

N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 94144978) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID94144978
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide
SMILESCc1cc(NC(=O)CC[C@H]2CCCO2)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-9-8-11(15(2)14-9)13-12(16)6-5-10-4-3-7-17-10/h8,10H,3-7H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyQHKGGYIGLSROKY-SNVBAGLBSA-N
XLogP1.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]tetrahydrofuran-2-carboxamide
CID 50967434
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CID 50970124
N-(1,3-dimethyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 45147551
(3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 136586422
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(oxolan-2-yl)acetamide
CID 137930654
N-(2,5-dimethylpyrazol-3-yl)-3-oxononanamide
CID 24989548
N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide
CID 24989928
N-(2,5-dimethylpyrazol-3-yl)-3-octoxypropanamide
CID 57792179
N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide
CID 91313387
(2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 35291348
(2R)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 35291354
(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)oxolane-2-carboxamide
CID 35535492

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide (CID 94144978) is N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide is Cc1cc(NC(=O)CC[C@H]2CCCO2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is QHKGGYIGLSROKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-8-11(15(2)14-9)13-12(16)6-5-10-4-3-7-17-10/h8,10H,3-7H2,1-2H3,(H,13,16)/t10-/m1/s1.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide?
N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 94144978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).